NPASS Compound

Natural Product: NPC480173

Natural Product ID	NPC480173
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	QFWCYNPOPKQOKV-UHFFFAOYSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	4713
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0002585] O-methylated flavonoids [CHEMONTID:0002595] 3'-O-methylated flavonoids

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 33 35 0 0 0 0 0 0 0 0999 V2000 5.6587 0.3628 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 0.8007 -0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -0.0649 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 -1.4118 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3283 -2.2372 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -1.7382 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -0.3521 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5613 0.0950 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 1.3662 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 1.7420 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 2.9226 0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2018 0.7785 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 1.0845 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4756 0.1321 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0832 -1.1577 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -1.4627 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 -0.5131 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 -0.8137 -0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 0.4293 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 1.8460 0.1461 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -0.2087 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 -0.2268 -1.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3209 1.2502 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 -1.8782 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -3.3084 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1963 -2.3984 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 2.1741 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8148 2.1012 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5189 0.3954 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8675 -1.9062 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4344 -2.4852 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 2.3027 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 2.3800 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 7 19 2 0 19 20 1 0 19 3 1 0 18 8 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 9 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 20 32 1 0 20 33 1 0 M END

Standard InCHIKey	QFWCYNPOPKQOKV-UHFFFAOYSA-N
Standard InCHI	InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
SMILES	COc1cccc(c2cc(=O)c3ccccc3o2)c1N

Calculated Properties

Physi-Chem Properties

Molecular Weight:	267.09	Volume:	275.899 ? Van der Waals volume.
Dense:	0.968	LogP:	2.405 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.44 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-3.84 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	2.0	Rigid Bonds:	18.0
TPSA:	65.46 ? Topological Polar Surface Area.	H-Bond Acceptor:	4.0
H-Bond Donor:	2.0	Rings:	3.0
Heavy Atoms:	4.0

MedChem Properties

QED Drug-Likeness Score:	0.725	GASA:	0.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	2.129	Fsp³:	0.062
MCE-18:	16.0 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Rejected	GSK Rule:	Rejected
Golden Triangle Rule:	Rejected	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.2	Fluc inhibitor:	0.965 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.912 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.711 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.082	Promiscuous compounds:	0.235

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-4.89	MDCK Permeability:	-4.592
Pgp-inhibitor:	0.872	Pgp-substrate:	0.266
PAMPA:	0.119 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.018
20% Bioavailability (F20%):	0.043	30% Bioavailability (F30%):	0.172
50% Bioavailability (F50%):	0.703

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.235	MRP1:	0.811
Plasma Protein Binding (PPB):	94.03%	Volume Distribution (VD):	0.147
Fu:	6.893% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.933
OATP1B3 inhibitor:	0.997	BCRP inhibitor:	0.947
BSEP inhibitor:	0.978

ADMET: Metabolism

CYP1A2-inhibitor:	0.91	CYP1A2-substrate:	0.996
CYP2C19-inhibitor:	0.433	CYP2C19-substrate:	0.892
CYP2C9-inhibitor:	0.999	CYP2C9-substrate:	0.308
CYP2D6-inhibitor:	0.962	CYP2D6-substrate:	0.982
CYP3A4-inhibitor:	0.017	CYP3A4-substrate:	0.997
CYP2B6-substrate:	0.058	CYP2C8-inhibitor:	0.604
HLM stability:	0.159 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

4.763

Half-life (T1/2):

1.591

ADMET: Toxicity

hERG Blockers:	0.122	hERG Blockers (10um):	0.457
Human Hepatotoxicity (H-HT):	0.479	Drug-induced Liver Injury (DILI):	0.919
AMES Toxicity:	0.784	Rat Oral Acute Toxicity:	0.373
Maximum Recommended Daily Dose:	0.691	Skin Sensitization:	0.431
Carcinogencity:	0.862	Eye Corrosion:	0.191
Eye Irritation:	0.983	Respiratory Toxicity:	0.791
Drug-induced Neurotoxicity:	0.692	Ototoxicity:	0.143
Hematotoxicity:	0.447	Drug-induced Nephrotoxicity:	0.237
Genotoxicity:	0.984	RPMI-8226 Immunitoxicity:	0.082
A549 Cytotoxicity:	0.082	Hek293 Cytotoxicity:	0.476
BCF:	0.862 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	3.62 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.475 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	4.292 ? 96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO40026	Aristolochia yunnanensis	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23570615]
NPO40280	Pestalotiopsis neglecta	Species	Sporocadaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31829592]
NPO40280	Pestalotiopsis neglecta	Species	Sporocadaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32283019]
NPO40026	Aristolochia yunnanensis	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40280	Pestalotiopsis neglecta	Species	Sporocadaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
IC50	22
Activity	2
FC	3
Inhibition	36
Residual Activity	468
Ratio	12
Survival	2

Activity Type	# Activity
Individual protein	480
Cell line	5
Protein family	3
Protein complex	25
Organism	10
Single protein	2
Others	20

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	IC50	=	2800.0	nM	PMID[11784156]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	IC50	=	1000.0	nM	PMID[12672248]
NPT281	Individual protein	MAP kinase ERK1	Homo sapiens	Activity	=	10.0	uM	PMID[15537354]
NPT1690	Individual protein	Dual specificity mitogen-activated protein kinase kinase 2	Homo sapiens	FC	=	100.0	n.a.	PMID[20081824]
NPT1608	Individual protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Inhibition	=	99.0	%	PMID[10998351]
NPT13	Individual protein	Tyrosine-protein kinase LCK	Homo sapiens	Inhibition	=	85.0	%	PMID[10998351]
NPT1610	Individual protein	Rho-associated protein kinase 2	Rattus norvegicus	Inhibition	=	80.0	%	PMID[10998351]
NPT1611	Individual protein	Ribosomal protein S6 kinase 1	Homo sapiens	Inhibition	=	100.0	%	PMID[10998351]
NPT1448	Individual protein	Serine/threonine-protein kinase Sgk1	Homo sapiens	Inhibition	=	90.0	%	PMID[10998351]
NPT1443	Individual protein	Pyruvate dehydrogenase kinase isoform 1	Homo sapiens	Inhibition	=	86.0	%	PMID[10998351]
NPT182	Individual protein	Protein kinase C alpha	Homo sapiens	Inhibition	=	93.0	%	PMID[10998351]
NPT1612	Individual protein	MAP kinase-activated protein kinase 5	Homo sapiens	Inhibition	=	108.0	%	PMID[10998351]
NPT1613	Individual protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Inhibition	=	86.0	%	PMID[10998351]
NPT1441	Individual protein	MAP kinase-activated protein kinase 2	Homo sapiens	Inhibition	=	95.0	%	PMID[10998351]
NPT1614	Individual protein	MAP kinase p38 delta	Homo sapiens	Inhibition	=	94.0	%	PMID[10998351]
NPT1615	Individual protein	MAP kinase p38 gamma	Homo sapiens	Inhibition	=	96.0	%	PMID[10998351]
NPT1616	Individual protein	MAP kinase p38 beta	Homo sapiens	Inhibition	=	95.0	%	PMID[10998351]
NPT283	Individual protein	MAP kinase p38 alpha	Homo sapiens	Inhibition	=	85.0	%	PMID[10998351]
NPT1426	Individual protein	c-Jun N-terminal kinase 1	Homo sapiens	Inhibition	=	111.0	%	PMID[10998351]
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	Inhibition	=	85.0	%	PMID[10998351]
NPT3317	Individual protein	Serine/threonine-protein kinase MARK1	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT3317	Individual protein	Serine/threonine-protein kinase MARK1	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT3419	Individual protein	Serine/threonine-protein kinase SRPK3	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT3284	Individual protein	Serine/threonine-protein kinase NEK7	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT3214	Individual protein	Tyrosine-protein kinase ABL2	Homo sapiens	Residual Activity	=	74.0	%	PMID[23398362]
NPT1686	Individual protein	Casein kinase I isoform gamma-3	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT3266	Individual protein	Casein kinase I delta	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1672	Individual protein	CaM kinase I delta	Homo sapiens	Residual Activity	=	120.0	%	PMID[23398362]
NPT1721	Individual protein	Death-associated protein kinase 1	Homo sapiens	Residual Activity	=	81.0	%	PMID[23398362]
NPT3218	Individual protein	Ephrin type-A receptor 4	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT3219	Individual protein	Ephrin type-A receptor 5	Homo sapiens	Residual Activity	=	118.0	%	PMID[23398362]
NPT3227	Individual protein	Fibroblast growth factor receptor 3	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT14	Individual protein	Tyrosine-protein kinase FYN	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT14	Individual protein	Tyrosine-protein kinase FYN	Homo sapiens	Residual Activity	=	39.0	%	PMID[23398362]
NPT3205	Individual protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3205	Individual protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT3207	Individual protein	c-Jun N-terminal kinase 3	Homo sapiens	Residual Activity	=	84.0	%	PMID[23398362]
NPT3207	Individual protein	c-Jun N-terminal kinase 3	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3419	Individual protein	Serine/threonine-protein kinase SRPK3	Homo sapiens	Residual Activity	=	110.0	%	PMID[23398362]
NPT1711	Individual protein	Serine/threonine-protein kinase MST1	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT3284	Individual protein	Serine/threonine-protein kinase NEK7	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3285	Individual protein	Serine/threonine protein kinase NLK	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT1432	Individual protein	Serine/threonine-protein kinase Aurora-A	Homo sapiens	Residual Activity	=	122.0	%	PMID[23398362]
NPT1432	Individual protein	Serine/threonine-protein kinase Aurora-A	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3266	Individual protein	Casein kinase I delta	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT1721	Individual protein	Death-associated protein kinase 1	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT3219	Individual protein	Ephrin type-A receptor 5	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3372	Individual protein	Fibroblast growth factor receptor 4	Homo sapiens	Residual Activity	=	128.0	%	PMID[23398362]
NPT3372	Individual protein	Fibroblast growth factor receptor 4	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3406	Individual protein	Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT1438	Individual protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT1478	Individual protein	Vascular endothelial growth factor receptor 2	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3282	Individual protein	Maternal embryonic leucine zipper kinase	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT1711	Individual protein	Serine/threonine-protein kinase MST1	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3285	Individual protein	Serine/threonine protein kinase NLK	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT1433	Individual protein	Serine/threonine-protein kinase Aurora-B	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT3236	Individual protein	Death-associated protein kinase 2	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3211	Individual protein	Ephrin type-A receptor 7	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3211	Individual protein	Ephrin type-A receptor 7	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3244	Individual protein	Tyrosine-protein kinase FER	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3406	Individual protein	Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens	Residual Activity	=	82.0	%	PMID[23398362]
NPT3457	Individual protein	G protein-coupled receptor kinase 5	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT1438	Individual protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	127.0	%	PMID[23398362]
NPT1438	Individual protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT2574	Individual protein	Insulin receptor	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT1478	Individual protein	Vascular endothelial growth factor receptor 2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT3242	Individual protein	LIM domain kinase 1	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT3282	Individual protein	Maternal embryonic leucine zipper kinase	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT3331	Individual protein	Serine/threonine-protein kinase MST2	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3331	Individual protein	Serine/threonine-protein kinase MST2	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1442	Individual protein	Serine/threonine-protein kinase PAK 2	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT1442	Individual protein	Serine/threonine-protein kinase PAK 2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1433	Individual protein	Serine/threonine-protein kinase Aurora-B	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT3206	Individual protein	Serine/threonine-protein kinase Aurora-C	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3273	Individual protein	Casein kinase II alpha (prime)	Homo sapiens	Residual Activity	=	119.0	%	PMID[23398362]
NPT3336	Individual protein	Serine/threonine-protein kinase DCLK2	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3216	Individual protein	Ephrin type-A receptor 8	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT3457	Individual protein	G protein-coupled receptor kinase 5	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT2574	Individual protein	Insulin receptor	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT3381	Individual protein	Misshapen-like kinase 1	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3381	Individual protein	Misshapen-like kinase 1	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3332	Individual protein	Serine/threonine-protein kinase 24	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT3247	Individual protein	Serine/threonine-protein kinase PAK 3	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3206	Individual protein	Serine/threonine-protein kinase Aurora-C	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT3273	Individual protein	Casein kinase II alpha (prime)	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT1682	Individual protein	Dual specificity protein kinase CLK2	Homo sapiens	Residual Activity	=	116.0	%	PMID[23398362]
NPT3336	Individual protein	Serine/threonine-protein kinase DCLK2	Homo sapiens	Residual Activity	=	120.0	%	PMID[23398362]
NPT3303	Individual protein	Discoidin domain-containing receptor 2	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT3216	Individual protein	Ephrin type-A receptor 8	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT3212	Individual protein	Ephrin type-B receptor 1	Homo sapiens	Residual Activity	=	118.0	%	PMID[23398362]
NPT2574	Individual protein	Insulin receptor	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT2574	Individual protein	Insulin receptor	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3279	Individual protein	Serine/threonine-protein kinase 11	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT3279	Individual protein	Serine/threonine-protein kinase 11	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT1691	Individual protein	Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens	Residual Activity	=	138.0	%	PMID[23398362]
NPT3332	Individual protein	Serine/threonine-protein kinase 24	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT3320	Individual protein	Proto-oncogene tyrosine-protein kinase MER	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3245	Individual protein	Tyrosine kinase non-receptor protein 2	Homo sapiens	Residual Activity	=	83.0	%	PMID[23398362]
NPT1659	Individual protein	Tyrosine-protein kinase receptor UFO	Homo sapiens	Residual Activity	=	119.0	%	PMID[23398362]
NPT1659	Individual protein	Tyrosine-protein kinase receptor UFO	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT1682	Individual protein	Dual specificity protein kinase CLK2	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT3303	Individual protein	Discoidin domain-containing receptor 2	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3212	Individual protein	Ephrin type-B receptor 1	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3438	Individual protein	G protein-coupled receptor kinase 7	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3386	Individual protein	Interleukin-1 receptor-associated kinase 1	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1707	Individual protein	Serine/threonine-protein kinase 10	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT1691	Individual protein	Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens	Residual Activity	=	77.0	%	PMID[23398362]
NPT3320	Individual protein	Proto-oncogene tyrosine-protein kinase MER	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3245	Individual protein	Tyrosine kinase non-receptor protein 2	Homo sapiens	Residual Activity	=	70.0	%	PMID[23398362]
NPT1661	Individual protein	ALK tyrosine kinase receptor	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3215	Individual protein	Tyrosine-protein kinase BRK	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT1683	Individual protein	Dual specificity protein kinase CLK3	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT1683	Individual protein	Dual specificity protein kinase CLK3	Homo sapiens	Residual Activity	=	71.0	%	PMID[23398362]
NPT1688	Individual protein	Myotonin-protein kinase	Homo sapiens	Residual Activity	=	122.0	%	PMID[23398362]
NPT1688	Individual protein	Myotonin-protein kinase	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT2941	Individual protein	Ephrin type-B receptor 2	Homo sapiens	Residual Activity	=	118.0	%	PMID[23398362]
NPT2941	Individual protein	Ephrin type-B receptor 2	Homo sapiens	Residual Activity	=	132.0	%	PMID[23398362]
NPT3438	Individual protein	G protein-coupled receptor kinase 7	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3386	Individual protein	Interleukin-1 receptor-associated kinase 1	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3425	Individual protein	Interleukin-1 receptor-associated kinase 4	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT1707	Individual protein	Serine/threonine-protein kinase 10	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT13	Individual protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT3441	Individual protein	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3441	Individual protein	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens	Residual Activity	=	84.0	%	PMID[23398362]
NPT1337	Individual protein	Hepatocyte growth factor receptor	Homo sapiens	Residual Activity	=	117.0	%	PMID[23398362]
NPT1337	Individual protein	Hepatocyte growth factor receptor	Homo sapiens	Residual Activity	=	116.0	%	PMID[23398362]
NPT1661	Individual protein	ALK tyrosine kinase receptor	Homo sapiens	Residual Activity	=	83.0	%	PMID[23398362]
NPT3113	Individual protein	Tyrosine-protein kinase CSK	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT1709	Individual protein	Serine/threonine-protein kinase 17A	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3359	Individual protein	Ephrin type-B receptor 3	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3244	Individual protein	Tyrosine-protein kinase FER	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3425	Individual protein	Interleukin-1 receptor-associated kinase 4	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT2626	Individual protein	Myosin light chain kinase, smooth muscle	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3213	Individual protein	MAP kinase signal-integrating kinase 2	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3293	Individual protein	Activin receptor type-1B	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT3293	Individual protein	Activin receptor type-1B	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT3113	Individual protein	Tyrosine-protein kinase CSK	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT3232	Individual protein	CaM kinase I alpha	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT1709	Individual protein	Serine/threonine-protein kinase 17A	Homo sapiens	Residual Activity	=	70.0	%	PMID[23398362]
NPT3399	Individual protein	Dual-specificity tyrosine-phosphorylation regulated kinase 2	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3359	Individual protein	Ephrin type-B receptor 3	Homo sapiens	Residual Activity	=	112.0	%	PMID[23398362]
NPT1437	Individual protein	Tyrosine-protein kinase FES	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT1437	Individual protein	Tyrosine-protein kinase FES	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3286	Individual protein	Insulin receptor-related protein	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3286	Individual protein	Insulin receptor-related protein	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT13	Individual protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT13	Individual protein	Tyrosine-protein kinase LCK	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT2626	Individual protein	Myosin light chain kinase, smooth muscle	Homo sapiens	Residual Activity	=	77.0	%	PMID[23398362]
NPT3326	Individual protein	Mitogen-activated protein kinase kinase kinase 9	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT3213	Individual protein	MAP kinase signal-integrating kinase 2	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT3333	Individual protein	Muscle, skeletal receptor tyrosine protein kinase	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT3312	Individual protein	Tyrosine-protein kinase BLK	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3312	Individual protein	Tyrosine-protein kinase BLK	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT3232	Individual protein	CaM kinase I alpha	Homo sapiens	Residual Activity	=	82.0	%	PMID[23398362]
NPT3399	Individual protein	Dual-specificity tyrosine-phosphorylation regulated kinase 2	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT2572	Individual protein	Ephrin type-B receptor 4	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT2572	Individual protein	Ephrin type-B receptor 4	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT3112	Individual protein	Tyrosine-protein kinase FGR	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3444	Individual protein	Homeodomain-interacting protein kinase 1	Homo sapiens	Residual Activity	=	112.0	%	PMID[23398362]
NPT1439	Individual protein	Tyrosine-protein kinase ITK/TSK	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT3111	Individual protein	Tyrosine-protein kinase Lyn	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT3326	Individual protein	Mitogen-activated protein kinase kinase kinase 9	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3333	Individual protein	Muscle, skeletal receptor tyrosine protein kinase	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT2750	Individual protein	Tyrosine-protein kinase BMX	Homo sapiens	Residual Activity	=	80.0	%	PMID[23398362]
NPT1608	Individual protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT1630	Individual protein	CaM kinase II beta	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT1630	Individual protein	CaM kinase II beta	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT285	Individual protein	Epidermal growth factor receptor erbB1	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT285	Individual protein	Epidermal growth factor receptor erbB1	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT1435	Individual protein	Receptor protein-tyrosine kinase erbB-4	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT3112	Individual protein	Tyrosine-protein kinase FGR	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT301	Individual protein	Vascular endothelial growth factor receptor 1	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3444	Individual protein	Homeodomain-interacting protein kinase 1	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3432	Individual protein	Homeodomain-interacting protein kinase 2	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT3246	Individual protein	Tyrosine-protein kinase JAK2	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT3111	Individual protein	Tyrosine-protein kinase Lyn	Homo sapiens	Residual Activity	=	80.0	%	PMID[23398362]
NPT281	Individual protein	MAP kinase ERK1	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3329	Individual protein	Serine/threonine-protein kinase MRCK-A	Homo sapiens	Residual Activity	=	118.0	%	PMID[23398362]
NPT3329	Individual protein	Serine/threonine-protein kinase MRCK-A	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3443	Individual protein	Serine/threonine-protein kinase Nek11	Homo sapiens	Residual Activity	=	64.0	%	PMID[23398362]
NPT3443	Individual protein	Serine/threonine-protein kinase Nek11	Homo sapiens	Residual Activity	=	78.0	%	PMID[23398362]
NPT1660	Individual protein	NUAK family SNF1-like kinase 1	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT2750	Individual protein	Tyrosine-protein kinase BMX	Homo sapiens	Residual Activity	=	82.0	%	PMID[23398362]
NPT3315	Individual protein	BR serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT1608	Individual protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT1680	Individual protein	Serine/threonine-protein kinase Chk2	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT1676	Individual protein	CaM kinase II gamma	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3354	Individual protein	Ephrin type-A receptor 1	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1435	Individual protein	Receptor protein-tyrosine kinase erbB-4	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT1436	Individual protein	Focal adhesion kinase 1	Homo sapiens	Residual Activity	=	115.0	%	PMID[23398362]
NPT301	Individual protein	Vascular endothelial growth factor receptor 1	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3432	Individual protein	Homeodomain-interacting protein kinase 2	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3246	Individual protein	Tyrosine-protein kinase JAK2	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT281	Individual protein	MAP kinase ERK1	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT3330	Individual protein	Serine/threonine-protein kinase MRCK beta	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1658	Individual protein	Serine/threonine-protein kinase NEK2	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1660	Individual protein	NUAK family SNF1-like kinase 1	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT3315	Individual protein	BR serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT1680	Individual protein	Serine/threonine-protein kinase Chk2	Homo sapiens	Residual Activity	=	72.0	%	PMID[23398362]
NPT1684	Individual protein	Casein kinase I gamma 1	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT1675	Individual protein	CaM kinase II delta	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3354	Individual protein	Ephrin type-A receptor 1	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3225	Individual protein	Ephrin type-A receptor 2	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT1436	Individual protein	Focal adhesion kinase 1	Homo sapiens	Residual Activity	=	116.0	%	PMID[23398362]
NPT1650	Individual protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT1650	Individual protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT3409	Individual protein	Homeodomain-interacting protein kinase 3	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3409	Individual protein	Homeodomain-interacting protein kinase 3	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1440	Individual protein	Tyrosine-protein kinase JAK3	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT1440	Individual protein	Tyrosine-protein kinase JAK3	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT282	Individual protein	MAP kinase ERK2	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3330	Individual protein	Serine/threonine-protein kinase MRCK beta	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT1613	Individual protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT1658	Individual protein	Serine/threonine-protein kinase NEK2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT3391	Individual protein	Serine/threonine-protein kinase Nek3	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT1431	Individual protein	Mitogen-activated protein kinase kinase kinase 5	Homo sapiens	Residual Activity	=	119.0	%	PMID[23398362]
NPT1431	Individual protein	Mitogen-activated protein kinase kinase kinase 5	Homo sapiens	Residual Activity	=	112.0	%	PMID[23398362]
NPT3344	Individual protein	BR serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	123.0	%	PMID[23398362]
NPT3344	Individual protein	BR serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1684	Individual protein	Casein kinase I gamma 1	Homo sapiens	Residual Activity	=	88.0	%	PMID[23398362]
NPT1675	Individual protein	CaM kinase II delta	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3225	Individual protein	Ephrin type-A receptor 2	Homo sapiens	Residual Activity	=	117.0	%	PMID[23398362]
NPT1480	Individual protein	Fibroblast growth factor receptor 1	Homo sapiens	Residual Activity	=	143.0	%	PMID[23398362]
NPT1480	Individual protein	Fibroblast growth factor receptor 1	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT2573	Individual protein	Vascular endothelial growth factor receptor 3	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT1426	Individual protein	c-Jun N-terminal kinase 1	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT1441	Individual protein	MAP kinase-activated protein kinase 2	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1613	Individual protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Residual Activity	=	117.0	%	PMID[23398362]
NPT3391	Individual protein	Serine/threonine-protein kinase Nek3	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT2729	Individual protein	Tyrosine-protein kinase ABL	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT1685	Individual protein	Casein kinase I gamma 2	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT1685	Individual protein	Casein kinase I gamma 2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1677	Individual protein	CaM kinase IV	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT3217	Individual protein	Ephrin type-A receptor 3	Homo sapiens	Residual Activity	=	110.0	%	PMID[23398362]
NPT3217	Individual protein	Ephrin type-A receptor 3	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT1481	Individual protein	Fibroblast growth factor receptor 2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT2573	Individual protein	Vascular endothelial growth factor receptor 3	Homo sapiens	Residual Activity	=	80.0	%	PMID[23398362]
NPT3267	Individual protein	Macrophage colony stimulating factor receptor	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3205	Individual protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	88.0	%	PMID[23398362]
NPT1426	Individual protein	c-Jun N-terminal kinase 1	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT1427	Individual protein	c-Jun N-terminal kinase 2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1441	Individual protein	MAP kinase-activated protein kinase 2	Homo sapiens	Residual Activity	=	78.0	%	PMID[23398362]
NPT3461	Individual protein	MAP kinase-activated protein kinase 3	Homo sapiens	Residual Activity	=	122.0	%	PMID[23398362]
NPT3374	Individual protein	Ribosomal protein S6 kinase alpha 4	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT3374	Individual protein	Ribosomal protein S6 kinase alpha 4	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1657	Individual protein	Serine/threonine-protein kinase NEK6	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT2729	Individual protein	Tyrosine-protein kinase ABL	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3214	Individual protein	Tyrosine-protein kinase ABL2	Homo sapiens	Residual Activity	=	115.0	%	PMID[23398362]
NPT1686	Individual protein	Casein kinase I isoform gamma-3	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT1672	Individual protein	CaM kinase I delta	Homo sapiens	Residual Activity	=	123.0	%	PMID[23398362]
NPT3218	Individual protein	Ephrin type-A receptor 4	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT1481	Individual protein	Fibroblast growth factor receptor 2	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3227	Individual protein	Fibroblast growth factor receptor 3	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3267	Individual protein	Macrophage colony stimulating factor receptor	Homo sapiens	Residual Activity	=	88.0	%	PMID[23398362]
NPT3205	Individual protein	Tyrosine-protein kinase HCK	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT1438	Individual protein	Insulin-like growth factor I receptor	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT1427	Individual protein	c-Jun N-terminal kinase 2	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3461	Individual protein	MAP kinase-activated protein kinase 3	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT1699	Individual protein	3-phosphoinositide dependent protein kinase-1	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1703	Individual protein	cAMP-dependent protein kinase alpha-catalytic subunit	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3124	Individual protein	Protein kinase C eta	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT1700	Individual protein	Serine/threonine-protein kinase PIM2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT3277	Individual protein	Tyrosine-protein kinase receptor TYRO3	Homo sapiens	Residual Activity	=	122.0	%	PMID[23398362]
NPT3349	Individual protein	Serine/threonine-protein kinase SIK1	Homo sapiens	Residual Activity	=	140.0	%	PMID[23398362]
NPT3349	Individual protein	Serine/threonine-protein kinase SIK1	Homo sapiens	Residual Activity	=	124.0	%	PMID[23398362]
NPT3269	Individual protein	Serine/threonine-protein kinase tousled-like 2	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3269	Individual protein	Serine/threonine-protein kinase tousled-like 2	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT1703	Individual protein	cAMP-dependent protein kinase alpha-catalytic subunit	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT1701	Individual protein	Serine/threonine-protein kinase PIM3	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT1701	Individual protein	Serine/threonine-protein kinase PIM3	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT3106	Individual protein	Ribosomal protein S6 kinase alpha 1	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT3106	Individual protein	Ribosomal protein S6 kinase alpha 1	Homo sapiens	Residual Activity	=	81.0	%	PMID[23398362]
NPT3291	Individual protein	Serine/threonine-protein kinase SRPK1	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT3299	Individual protein	Testis-specific serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT1663	Individual protein	Tyrosine-protein kinase YES	Homo sapiens	Residual Activity	=	123.0	%	PMID[23398362]
NPT3394	Individual protein	Protein kinase C iota	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3394	Individual protein	Protein kinase C iota	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT1705	Individual protein	Ribosomal protein S6 kinase alpha 3	Homo sapiens	Residual Activity	=	118.0	%	PMID[23398362]
NPT3291	Individual protein	Serine/threonine-protein kinase SRPK1	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT3292	Individual protein	Serine/threonine-protein kinase SRPK2	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT3299	Individual protein	Testis-specific serine/threonine-protein kinase 1	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT3462	Individual protein	Testis-specific serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT1663	Individual protein	Tyrosine-protein kinase YES	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT1430	Individual protein	Serine/threonine-protein kinase AKT2	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3364	Individual protein	Protein kinase C mu	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT3358	Individual protein	Serine/threonine-protein kinase PLK3	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT1705	Individual protein	Ribosomal protein S6 kinase alpha 3	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3234	Individual protein	Ribosomal protein S6 kinase alpha 2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT3292	Individual protein	Serine/threonine-protein kinase SRPK2	Homo sapiens	Residual Activity	=	88.0	%	PMID[23398362]
NPT3462	Individual protein	Testis-specific serine/threonine-protein kinase 2	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT3259	Individual protein	Tyrosine-protein kinase ZAP-70	Homo sapiens	Residual Activity	=	137.0	%	PMID[23398362]
NPT3259	Individual protein	Tyrosine-protein kinase ZAP-70	Homo sapiens	Residual Activity	=	120.0	%	PMID[23398362]
NPT1430	Individual protein	Serine/threonine-protein kinase AKT2	Homo sapiens	Residual Activity	=	132.0	%	PMID[23398362]
NPT2546	Individual protein	Serine/threonine-protein kinase AKT3	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3364	Individual protein	Protein kinase C mu	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3358	Individual protein	Serine/threonine-protein kinase PLK3	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT3234	Individual protein	Ribosomal protein S6 kinase alpha 2	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3296	Individual protein	Serine/threonine-protein kinase 33	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3296	Individual protein	Serine/threonine-protein kinase 33	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3351	Individual protein	Tyrosine-protein kinase TEC	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT3351	Individual protein	Tyrosine-protein kinase TEC	Homo sapiens	Residual Activity	=	91.0	%	PMID[23398362]
NPT1687	Individual protein	Death-associated protein kinase 3	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT3247	Individual protein	Serine/threonine-protein kinase PAK 3	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT1695	Individual protein	Serine/threonine-protein kinase PAK 4	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT2546	Individual protein	Serine/threonine-protein kinase AKT3	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3365	Individual protein	Serine/threonine-protein kinase D2	Homo sapiens	Residual Activity	=	110.0	%	PMID[23398362]
NPT3365	Individual protein	Serine/threonine-protein kinase D2	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3262	Individual protein	Serine/threonine-protein kinase PRKX	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT3262	Individual protein	Serine/threonine-protein kinase PRKX	Homo sapiens	Residual Activity	=	33.0	%	PMID[23398362]
NPT3254	Individual protein	Ribosomal protein S6 kinase alpha 6	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3254	Individual protein	Ribosomal protein S6 kinase alpha 6	Homo sapiens	Residual Activity	=	133.0	%	PMID[23398362]
NPT3414	Individual protein	Serine/threonine-protein kinase PLK2	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT2576	Individual protein	Tyrosine-protein kinase TIE-2	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT1687	Individual protein	Death-associated protein kinase 3	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT1424	Individual protein	Serine/threonine-protein kinase RAF	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT1695	Individual protein	Serine/threonine-protein kinase PAK 4	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT182	Individual protein	Protein kinase C alpha	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT182	Individual protein	Protein kinase C alpha	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT3367	Individual protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3263	Individual protein	Protein tyrosine kinase 2 beta	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT283	Individual protein	MAP kinase p38 alpha	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT3414	Individual protein	Serine/threonine-protein kinase PLK2	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT1449	Individual protein	Tyrosine-protein kinase SYK	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT2576	Individual protein	Tyrosine-protein kinase TIE-2	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3239	Individual protein	Nerve growth factor receptor Trk-A	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1424	Individual protein	Serine/threonine-protein kinase RAF	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT1696	Individual protein	Serine/threonine-protein kinase PAK7	Homo sapiens	Residual Activity	=	122.0	%	PMID[23398362]
NPT3367	Individual protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT3367	Individual protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3263	Individual protein	Protein tyrosine kinase 2 beta	Homo sapiens	Residual Activity	=	112.0	%	PMID[23398362]
NPT1447	Individual protein	Serine/threonine-protein kinase RIPK2	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT283	Individual protein	MAP kinase p38 alpha	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT1616	Individual protein	MAP kinase p38 beta	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT1449	Individual protein	Tyrosine-protein kinase SYK	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT3239	Individual protein	Nerve growth factor receptor Trk-A	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT1479	Individual protein	Stem cell growth factor receptor	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT1696	Individual protein	Serine/threonine-protein kinase PAK7	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1697	Individual protein	Serine/threonine-protein kinase PAK6	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3367	Individual protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1447	Individual protein	Serine/threonine-protein kinase RIPK2	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT1616	Individual protein	MAP kinase p38 beta	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3442	Individual protein	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3442	Individual protein	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3270	Individual protein	Neurotrophic tyrosine kinase receptor type 2	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT3270	Individual protein	Neurotrophic tyrosine kinase receptor type 2	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT1697	Individual protein	Serine/threonine-protein kinase PAK6	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT1612	Individual protein	MAP kinase-activated protein kinase 5	Homo sapiens	Residual Activity	=	125.0	%	PMID[23398362]
NPT1612	Individual protein	MAP kinase-activated protein kinase 5	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT1615	Individual protein	MAP kinase p38 gamma	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT3431	Individual protein	Serine/threonine-protein kinase TAO1	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3272	Individual protein	Tyrosine-protein kinase TXK	Homo sapiens	Residual Activity	=	77.0	%	PMID[23398362]
NPT1344	Individual protein	Serine/threonine-protein kinase EEF2K	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3235	Individual protein	MAP/microtubule affinity-regulating kinase 2	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3235	Individual protein	MAP/microtubule affinity-regulating kinase 2	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT3357	Individual protein	Protein kinase N2	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT3107	Individual protein	Rho-associated protein kinase 2	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT1615	Individual protein	MAP kinase p38 gamma	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT1614	Individual protein	MAP kinase p38 delta	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT3431	Individual protein	Serine/threonine-protein kinase TAO1	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT3426	Individual protein	Serine/threonine-protein kinase TAO2	Homo sapiens	Residual Activity	=	112.0	%	PMID[23398362]
NPT3272	Individual protein	Tyrosine-protein kinase TXK	Homo sapiens	Residual Activity	=	73.0	%	PMID[23398362]
NPT3422	Individual protein	Serine/threonine-protein kinase ULK2	Homo sapiens	Residual Activity	=	117.0	%	PMID[23398362]
NPT1344	Individual protein	Serine/threonine-protein kinase EEF2K	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT3454	Individual protein	PAS domain-containing serine/threonine-protein kinase	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3357	Individual protein	Protein kinase N2	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT3204	Individual protein	Tyrosine-protein kinase FRK	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT3107	Individual protein	Rho-associated protein kinase 2	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3370	Individual protein	Tyrosine-protein kinase receptor RET	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT1614	Individual protein	MAP kinase p38 delta	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT3426	Individual protein	Serine/threonine-protein kinase TAO2	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT3422	Individual protein	Serine/threonine-protein kinase ULK2	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT3454	Individual protein	PAS domain-containing serine/threonine-protein kinase	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT3020	Individual protein	Platelet-derived growth factor receptor alpha	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT3204	Individual protein	Tyrosine-protein kinase FRK	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT3370	Individual protein	Tyrosine-protein kinase receptor RET	Homo sapiens	Residual Activity	=	83.0	%	PMID[23398362]
NPT1448	Individual protein	Serine/threonine-protein kinase Sgk1	Homo sapiens	Residual Activity	=	79.0	%	PMID[23398362]
NPT1448	Individual protein	Serine/threonine-protein kinase Sgk1	Homo sapiens	Residual Activity	=	120.0	%	PMID[23398362]
NPT3427	Individual protein	Serine/threonine-protein kinase TAO3	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3427	Individual protein	Serine/threonine-protein kinase TAO3	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT3382	Individual protein	Serine/threonine-protein kinase ULK3	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT3382	Individual protein	Serine/threonine-protein kinase ULK3	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT3020	Individual protein	Platelet-derived growth factor receptor alpha	Homo sapiens	Residual Activity	=	110.0	%	PMID[23398362]
NPT3223	Individual protein	Phosphorylase kinase gamma subunit 2	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT3223	Individual protein	Phosphorylase kinase gamma subunit 2	Homo sapiens	Residual Activity	=	117.0	%	PMID[23398362]
NPT3390	Individual protein	Macrophage-stimulating protein receptor	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT3390	Individual protein	Macrophage-stimulating protein receptor	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3456	Individual protein	Serine/threonine-protein kinase Sgk2	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT3417	Individual protein	Serine/threonine-protein kinase TBK1	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT1715	Individual protein	Serine/threonine-protein kinase VRK2	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1611	Individual protein	Ribosomal protein S6 kinase 1	Homo sapiens	Residual Activity	=	119.0	%	PMID[23398362]
NPT2575	Individual protein	Platelet-derived growth factor receptor beta	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT2575	Individual protein	Platelet-derived growth factor receptor beta	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT3455	Individual protein	Protein kinase C zeta	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT3455	Individual protein	Protein kinase C zeta	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT1265	Individual protein	Serine/threonine-protein kinase PIM1	Homo sapiens	Residual Activity	=	82.0	%	PMID[23398362]
NPT3373	Individual protein	Proto-oncogene tyrosine-protein kinase ROS	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT3456	Individual protein	Serine/threonine-protein kinase Sgk2	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3418	Individual protein	Serine/threonine-protein kinase Sgk3	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT3417	Individual protein	Serine/threonine-protein kinase TBK1	Homo sapiens	Residual Activity	=	95.0	%	PMID[23398362]
NPT3353	Individual protein	TGF-beta receptor type I	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT1715	Individual protein	Serine/threonine-protein kinase VRK2	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT1611	Individual protein	Ribosomal protein S6 kinase 1	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT1699	Individual protein	3-phosphoinositide dependent protein kinase-1	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT3124	Individual protein	Protein kinase C eta	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT1265	Individual protein	Serine/threonine-protein kinase PIM1	Homo sapiens	Residual Activity	=	58.0	%	PMID[23398362]
NPT1700	Individual protein	Serine/threonine-protein kinase PIM2	Homo sapiens	Residual Activity	=	126.0	%	PMID[23398362]
NPT3373	Individual protein	Proto-oncogene tyrosine-protein kinase ROS	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT3277	Individual protein	Tyrosine-protein kinase receptor TYRO3	Homo sapiens	Residual Activity	=	78.0	%	PMID[23398362]
NPT3418	Individual protein	Serine/threonine-protein kinase Sgk3	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT3353	Individual protein	TGF-beta receptor type I	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT1690	Individual protein	Dual specificity mitogen-activated protein kinase kinase 2	Homo sapiens	IC50	=	50000.0	nM	DOI[10.1039/C2MD20181J]
NPT490	Protein family	Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)	Homo sapiens	IC50	=	2800.0	nM	PMID[11784156]
NPT2544	Protein complex	Cyclin-dependent kinase 2/cyclin E	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT2544	Protein complex	Cyclin-dependent kinase 2/cyclin E	Homo sapiens	Residual Activity	=	85.0	%	PMID[23398362]
NPT1509	Protein complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT1509	Protein complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT1509	Protein complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	112.0	%	PMID[23398362]
NPT1509	Protein complex	Cyclin-dependent kinase 5/CDK5 activator 1	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT4093	Individual protein	Serine/threonine-protein kinase haspin	Homo sapiens	Residual Activity	=	118.0	%	PMID[23398362]
NPT4093	Individual protein	Serine/threonine-protein kinase haspin	Homo sapiens	Residual Activity	=	81.0	%	PMID[23398362]
NPT592	Individual protein	Rho-associated protein kinase 1	Homo sapiens	Residual Activity	=	117.0	%	PMID[23398362]
NPT592	Individual protein	Rho-associated protein kinase 1	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT491	Individual protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	IC50	>	10000.0	nM	PMID[11784156]
NPT491	Individual protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	IC50	=	2000.0	nM	PMID[12672248]
NPT484	Individual protein	Luciferin 4-monooxygenase	Photinus pyralis	IC50	=	6400.0	nM	PMID[18363348]
NPT484	Individual protein	Luciferin 4-monooxygenase	Photinus pyralis	IC50	=	6200.0	nM	PMID[18363348]
NPT484	Individual protein	Luciferin 4-monooxygenase	Photinus pyralis	IC50	=	11000.0	nM	PMID[18363348]
NPT484	Individual protein	Luciferin 4-monooxygenase	Photinus pyralis	IC50	>	100000.0	nM	PMID[18363348]
NPT484	Individual protein	Luciferin 4-monooxygenase	Photinus pyralis	IC50	=	60000.0	nM	PMID[18363348]
NPT491	Individual protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	FC	=	100.0	n.a.	PMID[20081824]
NPT1609	Protein complex	Casein kinase II	Homo sapiens	Inhibition	=	87.0	%	PMID[10998351]
NPT3814	Protein complex	Cyclin-dependent kinase 2/cyclin A	Homo sapiens	Residual Activity	=	10.0	%	PMID[23398362]
NPT491	Individual protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT981	Individual protein	Inhibitor of nuclear factor kappa B kinase beta subunit	Homo sapiens	Residual Activity	=	125.0	%	PMID[23398362]
NPT491	Individual protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	Residual Activity	=	111.0	%	PMID[23398362]
NPT1609	Protein complex	Casein kinase II	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT1609	Protein complex	Casein kinase II	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT981	Individual protein	Inhibitor of nuclear factor kappa B kinase beta subunit	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT676	Individual protein	Glycogen synthase kinase-3 alpha	Homo sapiens	Residual Activity	=	114.0	%	PMID[23398362]
NPT676	Individual protein	Glycogen synthase kinase-3 alpha	Homo sapiens	Residual Activity	=	77.0	%	PMID[23398362]
NPT3814	Protein complex	Cyclin-dependent kinase 2/cyclin A	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT4094	Individual protein	Serine/threonine-protein kinase WNK3	Homo sapiens	Residual Activity	=	82.0	%	PMID[23398362]
NPT4094	Individual protein	Serine/threonine-protein kinase WNK3	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT831	Individual protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Residual Activity	=	81.0	%	PMID[23398362]
NPT831	Individual protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT36	Individual protein	Tyrosine-protein kinase SRC	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT36	Individual protein	Tyrosine-protein kinase SRC	Homo sapiens	Residual Activity	=	87.0	%	PMID[23398362]
NPT880	Individual protein	Protein kinase C gamma	Homo sapiens	Residual Activity	=	107.0	%	PMID[23398362]
NPT880	Individual protein	Protein kinase C gamma	Homo sapiens	Residual Activity	=	119.0	%	PMID[23398362]
NPT940	Individual protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT940	Individual protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	93.0	%	PMID[23398362]
NPT940	Individual protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	86.0	%	PMID[23398362]
NPT940	Individual protein	Serine/threonine-protein kinase mTOR	Homo sapiens	Residual Activity	=	51.0	%	PMID[23398362]
NPT4096	Individual protein	Serine/threonine-protein kinase WNK2	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT4096	Individual protein	Serine/threonine-protein kinase WNK2	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT491	Individual protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	IC50	=	4000.0	nM	DOI[10.1039/C2MD20181J]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	24.97	%	DOI[10.6019/CHEMBL4495564]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	8.098	%	DOI[10.6019/CHEMBL4495564]
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	89.98	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	IC50	=	1837.0	nM	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	97.69	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	97.37	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT591	Individual protein	Glycogen synthase kinase-3 beta	Homo sapiens	Inhibition	=	101.0	%	PMID[10998351]
NPT728	Individual protein	Serine/threonine-protein kinase AKT	Homo sapiens	Inhibition	=	82.0	%	PMID[10998351]
NPT982	Individual protein	Inhibitor of nuclear factor kappa B kinase alpha subunit	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT4088	Individual protein	G protein-coupled receptor kinase 6	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT4088	Individual protein	G protein-coupled receptor kinase 6	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT4089	Protein complex	CDK6/cyclin D3	Homo sapiens	Residual Activity	=	102.0	%	PMID[23398362]
NPT4089	Protein complex	CDK6/cyclin D3	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT4090	Protein complex	Cyclin-dependent kinase 7/ cyclin H	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT4090	Protein complex	Cyclin-dependent kinase 7/ cyclin H	Homo sapiens	Residual Activity	=	89.0	%	PMID[23398362]
NPT591	Individual protein	Glycogen synthase kinase-3 beta	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT591	Individual protein	Glycogen synthase kinase-3 beta	Homo sapiens	Residual Activity	=	103.0	%	PMID[23398362]
NPT4092	Protein complex	CDK9/cyclin T1	Homo sapiens	Residual Activity	=	104.0	%	PMID[23398362]
NPT4092	Protein complex	CDK9/cyclin T1	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]
NPT1767	Protein complex	AMP-activated protein kinase, AMPK	Homo sapiens	Residual Activity	=	98.0	%	PMID[23398362]
NPT1767	Protein complex	AMP-activated protein kinase, AMPK	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT982	Individual protein	Inhibitor of nuclear factor kappa B kinase alpha subunit	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT728	Individual protein	Serine/threonine-protein kinase AKT	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT728	Individual protein	Serine/threonine-protein kinase AKT	Homo sapiens	Residual Activity	=	109.0	%	PMID[23398362]
NPT881	Individual protein	Protein kinase C delta	Homo sapiens	Residual Activity	=	113.0	%	PMID[23398362]
NPT761	Individual protein	Protein kinase C epsilon	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT761	Individual protein	Protein kinase C epsilon	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT4087	Protein complex	CDK3/cyclin E	Homo sapiens	Residual Activity	=	90.0	%	PMID[23398362]
NPT4087	Protein complex	CDK3/cyclin E	Homo sapiens	Residual Activity	=	84.0	%	PMID[23398362]
NPT833	Individual protein	Tyrosine-protein kinase BTK	Homo sapiens	Residual Activity	=	94.0	%	PMID[23398362]
NPT833	Individual protein	Tyrosine-protein kinase BTK	Homo sapiens	Residual Activity	=	100.0	%	PMID[23398362]
NPT4091	Protein complex	AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1	Homo sapiens	Residual Activity	=	101.0	%	PMID[23398362]
NPT4091	Protein complex	AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1	Homo sapiens	Residual Activity	=	96.0	%	PMID[23398362]
NPT1561	Protein complex	Cyclin-dependent kinase 1/cyclin B1	Homo sapiens	Residual Activity	=	99.0	%	PMID[23398362]
NPT887	Individual protein	Protein kinase C theta	Homo sapiens	Residual Activity	=	92.0	%	PMID[23398362]
NPT887	Individual protein	Protein kinase C theta	Homo sapiens	Residual Activity	=	97.0	%	PMID[23398362]
NPT760	Individual protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	106.0	%	PMID[23398362]
NPT760	Individual protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	105.0	%	PMID[23398362]
NPT760	Individual protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	121.0	%	PMID[23398362]
NPT760	Individual protein	Protein kinase C beta	Homo sapiens	Residual Activity	=	108.0	%	PMID[23398362]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT306	Cell line	PC-3	Homo sapiens	FC	=	0.901	n.a.	PMID[16680159]
NPT113	Cell line	RAW264.7	Mus musculus	Inhibition	=	-2.4	%	PMID[22831798]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	4000.0	nM	PMID[25078316]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	10000.0	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	12589.25	nM	PMID[19734910]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	1.73	%	DOI[10.21203/rs.3.rs-23951/v1]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.23	%	DOI[10.6019/CHEMBL4495565]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.22	%	DOI[10.6019/CHEMBL4495565]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	DOI[10.6019/CHEMBL4651402]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	DOI[10.6019/CHEMBL4651402]
NPT530	Organism	Caenorhabditis elegans	Caenorhabditis elegans	Activity	=	5.3	%	PMID[20081824]
NPT17681	Protein family	Dual specificity mitogen-activated protein kinase kinase MEK1/2	Rattus norvegicus	IC50	=	4200.0	nM	PMID[25078316]
NPT2	Others	Unspecified	n.a.	IC50	>	400000.0	nM	PMID[12672248]
NPT2	Others	Unspecified	n.a.	IC50	=	2000.0	nM	PMID[18077363]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.01	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.23	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.61	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.79	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.92	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.18	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.32	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.53	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.12	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.2	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.3	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.69	n.a.	PMID[20189399]
NPT2	Others	Unspecified	n.a.	Inhibition	=	87.0	%	PMID[10998351]
NPT2	Others	Unspecified	n.a.	Inhibition	=	97.0	%	PMID[10998351]
NPT2	Others	Unspecified	n.a.	Inhibition	=	106.0	%	PMID[10998351]
NPT2	Others	Unspecified	n.a.	Inhibition	=	93.0	%	PMID[10998351]
NPT2	Others	Unspecified	n.a.	Inhibition	=	89.0	%	PMID[10998351]
NPT2	Others	Unspecified	n.a.	IC50	=	2000.0	nM	PMID[25078316]
NPT29326	Protein family	Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1)	Mus musculus	Inhibition	n.a.	n.a.	%	PMID[35576655]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT453	Cell line	HT-1080	Homo sapiens	Survival	=	26.0	%	PMID[17568748]
NPT1160	Cell line	BJ	Homo sapiens	Survival	=	78.0	%	PMID[17568748]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC480173 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	32988
0.1-0.2	14795
0.2-0.3	1824
0.3-0.4	218
0.4-0.5	23
0.5-0.6	4
0.6-0.7	4
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.6481	Remote Similarity	NPC2771
0.6429	Remote Similarity	NPC608264
0.625	Remote Similarity	NPC608669
0.614	Remote Similarity	NPC77955
0.5893	Remote Similarity	NPC483772
0.5893	Remote Similarity	NPC603094
0.5593	Remote Similarity	NPC483774
0.5472	Remote Similarity	NPC32298

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC480173 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	4593
0.1-0.2	4365
0.2-0.3	186
0.3-0.4	6
0.4-0.5	0
0.5-0.6	0
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
		NPD

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data